SCHEMBL29128940

SCHEMBL29128940

CC(O)CC(=O)NCCCCC(N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OTC P00480 1/20 0.53
▸ GSR P00390 1/20 0.46
▸ NOD1 Q9Y239 2/20 0.45
▸ DPP7 Q9UHL4 1/20 0.42
▸ ARG2 P78540 4/20 0.42
▸ ARG1 P05089 3/20 0.42
▸ NOS2 P35228 3/20 0.41
▸ NOS3 P29474 2/20 0.41
▸ NOS1 P29475 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ GNAI3 P08754 1/20 0.41
▸ GNAO1 P09471 1/20 0.41
▸ GNAI1 P63096 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31207026 1.00 OTC (0.53) OTCGSRNOD1DPP7ARG2
SCHEMBL4550454 0.89 OTC (0.54) OTCGSRNOD1DPP7ARG2
SCHEMBL30411132 0.89 OTC (0.54) OTCGSRNOD1DPP7ARG2
SCHEMBL18350239 0.86 OTC (0.58) OTCGSRNOD1DPP7ARG2
SCHEMBL2237597 0.83 OTC (0.59) OTCGSRNOD1DPP7ARG2
SCHEMBL21261702 0.83 ALDH1A1 (0.43) CYP1A2ALDH1A1TP53SMN1; SMN2
SCHEMBL25408052 0.82 OTC (0.48) OTCGSRNOD1DPP7ARG2
SCHEMBL27150870 0.82 OTC (0.48) OTCGSRNOD1DPP7ARG2
SCHEMBL25408044 0.82 OTC (0.48) OTCGSRNOD1DPP7ARG2
SCHEMBL1423420 0.81 MEN1 (0.61) OTCGSRNOD1DPP7ARG2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117049972-A Preparation method and application of small molecule ketone peptide 东莞理工学院 2023-11-14 — — CN disclosed
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